1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

C29H32N6O — CID 51360416

IUPAC1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C29H32N6O/c1-36-27-16-14-26(15-17-27)28(29-30-31-32-35(29)23-25-11-6-3-7-12-25)34-21-19-33(20-22-34)18-8-13-24-9-4-2-5-10-24/h2-17,28H,18-23H2,1H3/b13-8+
InChIKeyGEXONMIUVXRBLQ-MDWZMJQESA-N
MW480.62 g/mol
LogP4.15
Rot. Bonds9

About 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 51360416) has the molecular formula C29H32N6O and a molecular weight of 480.62 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID51360416
Molecular FormulaC29H32N6O
Molecular Weight480.62 g/mol
Exact Mass480.26
IUPAC Name1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C29H32N6O/c1-36-27-16-14-26(15-17-27)28(29-30-31-32-35(29)23-25-11-6-3-7-12-25)34-21-19-33(20-22-34)18-8-13-24-9-4-2-5-10-24/h2-17,28H,18-23H2,1H3/b13-8+
InChIKeyGEXONMIUVXRBLQ-MDWZMJQESA-N
XLogP4.15
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline
CID 9549627
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-(2-methoxy-phenyl)-piperazine
CID 646026
(2S,3S)-N-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 10547681
1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 654719
1-((1-benzyl-1H-tetrazol-5-yl)(4-(difluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158590
1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159046
1-((1-benzyl-1H-tetrazol-5-yl)(4-ethoxyphenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865449
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclohexyl-piperazine
CID 645920
1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-4-methyl-piperidine
CID 646517
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-(4-methoxy-phenyl)-piperazine
CID 648069
2-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2-methoxy-phenyl)-methyl]-octahydro-pyrrolo[1,2-a]pyrazine
CID 650070

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 51360416) is 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is GEXONMIUVXRBLQ-MDWZMJQESA-N. The full InChI is InChI=1S/C29H32N6O/c1-36-27-16-14-26(15-17-27)28(29-30-31-32-35(29)23-25-11-6-3-7-12-25)34-21-19-33(20-22-34)18-8-13-24-9-4-2-5-10-24/h2-17,28H,18-23H2,1H3/b13-8+.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 480.62 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 51360416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).